Receptor
PDB id Resolution Class Description Source Keywords
6BFH 1.95 Å EC: 2.-.-.- STRUCTURE OF THE KANAMYCIN COMPLEX OF AMINOGLYCOSIDE ACETYLT AAC(6')-IM ESCHERICHIA COLI ANTIBIOTIC RESISTANCE AMINOGLYCOSIDE ACETYLTRANSFERASE TR
Ref.: AMINOGLYCOSIDE RESISTANCE PROFILE AND STRUCTURAL ARCHITECTURE OF THE AMINOGLYCOSIDE ACETYLTRANSFERAS AAC(6')-IM. MICROB CELL V. 4 402 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KAN A:201;
 Valid;
 none;
 submit data
484.499 C18 H36 N4 O11 C1[C@...
GOL A:202;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6BFH 1.95 Å EC: 2.-.-.- STRUCTURE OF THE KANAMYCIN COMPLEX OF AMINOGLYCOSIDE ACETYLT AAC(6')-IM ESCHERICHIA COLI ANTIBIOTIC RESISTANCE AMINOGLYCOSIDE ACETYLTRANSFERASE TR
Ref.: AMINOGLYCOSIDE RESISTANCE PROFILE AND STRUCTURAL ARCHITECTURE OF THE AMINOGLYCOSIDE ACETYLTRANSFERAS AAC(6')-IM. MICROB CELL V. 4 402 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 313 families.
1 6BFH - KAN C18 H36 N4 O11 C1[C@H]([C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 277 families.
1 4QC6 - 30N C21 H36 N7 O18 P3 S CC(C)(COP(....
2 6BFH - KAN C18 H36 N4 O11 C1[C@H]([C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 4QC6 - 30N C21 H36 N7 O18 P3 S CC(C)(COP(....
2 6BFH - KAN C18 H36 N4 O11 C1[C@H]([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: KAN; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 KAN 1 1
2 CJX 0.807018 1
3 9CS 0.75 1
4 CK0 0.681818 1
5 TOY 0.661765 0.957447
6 KNC 0.661538 0.978261
7 AKN 0.607143 0.901961
8 7QM 0.519481 0.958333
9 RIO 0.460526 0.958333
10 7XP 0.417722 0.978261
11 XXX 0.416667 0.913043
12 84G 0.40404 0.849057
Similar Ligands (3D)
Ligand no: 1; Ligand: KAN; Similar ligands found: 5
No: Ligand Similarity coefficient
1 827 0.9356
2 GET 0.9237
3 LLL 0.9113
4 51G 0.8993
5 SIS 0.8958
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6BFH; Ligand: KAN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6bfh.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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